N-[(3-methylphenyl)methyl]-1-(6-morpholin-4-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide

C27H32N4O4S — CID 50769229

IUPACN-[(3-methylphenyl)methyl]-1-(6-morpholin-4-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
SMILESCc1cccc(CNC(=O)C2CCCN(c3ccc4cc(S(=O)(=O)N5CCOCC5)ccc4n3)C2)c1
InChIInChI=1S/C27H32N4O4S/c1-20-4-2-5-21(16-20)18-28-27(32)23-6-3-11-30(19-23)26-10-7-22-17-24(8-9-25(22)29-26)36(33,34)31-12-14-35-15-13-31/h2,4-5,7-10,16-17,23H,3,6,11-15,18-19H2,1H3,(H,28,32)
InChIKeyKYACPAOEWJZOIF-UHFFFAOYSA-N
MW508.64 g/mol
LogP3.10
Rot. Bonds6

About N-[(3-methylphenyl)methyl]-1-(6-morpholin-4-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide

N-[(3-methylphenyl)methyl]-1-(6-morpholin-4-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide (PubChem CID 50769229) has the molecular formula C27H32N4O4S and a molecular weight of 508.64 g/mol. Its IUPAC name is N-[(3-methylphenyl)methyl]-1-(6-morpholin-4-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[(3-methylphenyl)methyl]-1-(6-morpholin-4-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
PubChem CID50769229
Molecular FormulaC27H32N4O4S
Molecular Weight508.64 g/mol
Exact Mass508.21
IUPAC NameN-[(3-methylphenyl)methyl]-1-(6-morpholin-4-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
SMILESCc1cccc(CNC(=O)C2CCCN(c3ccc4cc(S(=O)(=O)N5CCOCC5)ccc4n3)C2)c1
InChIInChI=1S/C27H32N4O4S/c1-20-4-2-5-21(16-20)18-28-27(32)23-6-3-11-30(19-23)26-10-7-22-17-24(8-9-25(22)29-26)36(33,34)31-12-14-35-15-13-31/h2,4-5,7-10,16-17,23H,3,6,11-15,18-19H2,1H3,(H,28,32)
InChIKeyKYACPAOEWJZOIF-UHFFFAOYSA-N
XLogP3.10
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.64
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3-methylphenyl)methyl]-1-(6-morpholin-4-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3S)-N-[(2-methylphenyl)methyl]-1-(6-morpholin-4-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92888441
(3S)-N-[(4-fluorophenyl)methyl]-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92888309
(3R)-N-[(4-fluorophenyl)methyl]-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92888308
(3R)-N-(1,3-benzodioxol-5-ylmethyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92888296
(3R)-N-(2-phenylethyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92893353
N-(furan-2-ylmethyl)-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 50769372
(3S)-N-[(2-chlorophenyl)methyl]-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92867049
(3S)-N-(pyridin-2-ylmethyl)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92888283
(3S)-1-(6-pyrrolidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxylic acid
CID 92863878
N-phenyl-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 50769456
(3S)-N-(2-methylphenyl)-1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide
CID 92888367
piperidin-1-yl-[1-(6-piperidin-1-ylsulfonylquinolin-2-yl)piperidin-3-yl]methanone
CID 50769435

Frequently Asked Questions

What is the IUPAC name of N-[(3-methylphenyl)methyl]-1-(6-morpholin-4-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide?
The IUPAC name of N-[(3-methylphenyl)methyl]-1-(6-morpholin-4-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide (CID 50769229) is N-[(3-methylphenyl)methyl]-1-(6-morpholin-4-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide.
What is the SMILES notation for N-[(3-methylphenyl)methyl]-1-(6-morpholin-4-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide?
The canonical SMILES for N-[(3-methylphenyl)methyl]-1-(6-morpholin-4-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide is Cc1cccc(CNC(=O)C2CCCN(c3ccc4cc(S(=O)(=O)N5CCOCC5)ccc4n3)C2)c1.
What is the InChIKey of N-[(3-methylphenyl)methyl]-1-(6-morpholin-4-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide?
The InChIKey is KYACPAOEWJZOIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N4O4S/c1-20-4-2-5-21(16-20)18-28-27(32)23-6-3-11-30(19-23)26-10-7-22-17-24(8-9-25(22)29-26)36(33,34)31-12-14-35-15-13-31/h2,4-5,7-10,16-17,23H,3,6,11-15,18-19H2,1H3,(H,28,32).
What are the key properties of N-[(3-methylphenyl)methyl]-1-(6-morpholin-4-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide?
N-[(3-methylphenyl)methyl]-1-(6-morpholin-4-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide has a molecular weight of 508.64 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methylphenyl)methyl]-1-(6-morpholin-4-ylsulfonylquinolin-2-yl)piperidine-3-carboxamide is sourced from PubChem (CID 50769229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).